LD0B3A -OEChem-05022322243D 42 44 0 0 0 0 0 0 0999 V2000 -5.4568 -1.4012 -1.0045 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2471 -1.3961 -0.9324 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5296 0.7689 1.5308 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1738 0.7971 -0.0884 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9807 3.4863 -0.5272 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9744 -0.7471 -0.1873 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5277 1.1451 -0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8390 0.4749 0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4822 0.1507 0.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9299 2.4636 -0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2410 1.7935 -0.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8268 -0.5526 0.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8358 -0.5048 -0.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2866 2.7877 -0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3535 -0.4190 -0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5839 -0.6650 -0.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.3612 -1.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4966 0.2744 0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8903 -1.4423 -1.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 0.1934 0.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3777 -0.9876 1.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3279 -2.0301 1.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4682 -2.3529 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8358 -0.0515 0.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2785 -0.4244 0.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1945 -0.8760 0.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2945 2.0636 -0.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4673 1.5762 0.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 3.8111 -0.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9771 -1.9692 -2.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9896 0.9259 1.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4206 -2.1147 -1.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3537 0.8185 1.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1158 -0.5818 2.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0032 3.2774 -0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2985 4.4335 -0.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8806 -2.5183 2.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4082 -1.3959 -0.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1162 -3.1021 -0.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4218 -1.4895 0.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9231 0.1546 1.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5556 -0.2087 -0.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 23 1 0 0 0 0 2 15 2 0 0 0 0 3 24 2 0 0 0 0 4 7 1 0 0 0 0 4 15 1 0 0 0 0 4 28 1 0 0 0 0 5 10 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 16 1 0 0 0 0 6 24 1 0 0 0 0 6 38 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 26 1 0 0 0 0 10 14 1 0 0 0 0 11 14 2 0 0 0 0 11 27 1 0 0 0 0 12 21 2 0 0 0 0 13 15 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 29 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 30 1 0 0 0 0 18 20 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END $$$$